N-(piperidin-4-yl)benzamide hydrate

N-(piperidin-4-yl)benzamide hydrate

CAS: 33953-37-6

Formula: C12H18N2O2

SMILES: O.O=C(NC1CCNCC1)C1=CC=CC=C1

IUPAC: N-(piperidin-4-yl)benzamide hydrate

InChI: InChI=1S/C12H16N2O.H2O/c15-12(10-4-2-1-3-5-10)14-11-6-8-13-9-7-11;/h1-5,11,13H,6-9H2,(H,14,15);1H2

Composition: C (64.84%), H (8.16%), N (12.60%), O (14.39%)

Molar Mass: 222.288

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	222.136827828
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	RCEZHZCJCYGMGP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.19
Topological Polar Surface Area	41.13
Polarizability	23.16
Ring Count	2
Rotatable Bond Count	2

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